1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol

C24H30ClN3O — CID 91194001

IUPAC1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol
SMILESCC(C)N1CCc2c(c3cc(Cl)ccc3n2CC(O)(c2ccncc2)C(C)C)C1
InChIInChI=1S/C24H30ClN3O/c1-16(2)24(29,18-7-10-26-11-8-18)15-28-22-6-5-19(25)13-20(22)21-14-27(17(3)4)12-9-23(21)28/h5-8,10-11,13,16-17,29H,9,12,14-15H2,1-4H3
InChIKeyAGXNHIJCQFOVIT-UHFFFAOYSA-N
MW411.98 g/mol
LogP5.00
Rot. Bonds5

About 1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol

1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol (PubChem CID 91194001) has the molecular formula C24H30ClN3O and a molecular weight of 411.98 g/mol. Its IUPAC name is 1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol.

Molecular Properties

Compound Name1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol
PubChem CID91194001
Molecular FormulaC24H30ClN3O
Molecular Weight411.98 g/mol
Exact Mass411.21
IUPAC Name1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol
SMILESCC(C)N1CCc2c(c3cc(Cl)ccc3n2CC(O)(c2ccncc2)C(C)C)C1
InChIInChI=1S/C24H30ClN3O/c1-16(2)24(29,18-7-10-26-11-8-18)15-28-22-6-5-19(25)13-20(22)21-14-27(17(3)4)12-9-23(21)28/h5-8,10-11,13,16-17,29H,9,12,14-15H2,1-4H3
InChIKeyAGXNHIJCQFOVIT-UHFFFAOYSA-N
XLogP5.00
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.98
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol with MolForge

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Related Compounds

1-(3,9-dimethyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol
CID 59368462
1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-3-ylpropan-2-ol;1-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol;1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropan-2-ol
CID 159792916
2-(8-chloro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1,1-diphenylethanol
CID 59455121
2-(9-chloro-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-1-pyridin-4-ylethanol
CID 59368152
1-(9-chloro-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-2-phenylpropan-2-ol
CID 59368123
2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenyl-1-pyridin-4-ylethanol
CID 50943981
8-chloro-5-[2-(2,4-dichlorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 147941472
2-(6-chloro-1,2,3,4-tetrahydrocarbazol-9-yl)-1-pyridin-4-ylethanol
CID 118011547
1-(9-chloro-3-methyl-1,2,4,5-tetrahydroazepino[4,5-b]indol-6-yl)-2-[6-(fluoromethyl)-3-pyridinyl]propan-2-ol
CID 90088847
8-chloro-2-prop-2-enyl-5-(2-pyridin-4-ylprop-1-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 67309981
8-chloro-2,3-dimethyl-5-(2-pyridin-4-ylprop-2-enyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 59454954
2-[8-chloro-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]acetic acid
CID 11717557

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol?
The IUPAC name of 1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol (CID 91194001) is 1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol.
What is the SMILES notation for 1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol?
The canonical SMILES for 1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol is CC(C)N1CCc2c(c3cc(Cl)ccc3n2CC(O)(c2ccncc2)C(C)C)C1.
What is the InChIKey of 1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol?
The InChIKey is AGXNHIJCQFOVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O/c1-16(2)24(29,18-7-10-26-11-8-18)15-28-22-6-5-19(25)13-20(22)21-14-27(17(3)4)12-9-23(21)28/h5-8,10-11,13,16-17,29H,9,12,14-15H2,1-4H3.
What are the key properties of 1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol?
1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol has a molecular weight of 411.98 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloro-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-3-methyl-2-pyridin-4-ylbutan-2-ol is sourced from PubChem (CID 91194001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).